SCHEMBL7398995

SCHEMBL7398995

COC(=O)COc1ccc(C(=O)CBr)c(OCC(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS2 P35354 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGDS O60760 1/20 0.42
HMGCR P04035 1/20 0.42
MAPK1 P28482 1/20 0.41
PDK2 Q15119 1/20 0.41
GSK3B P49841 1/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7334423 0.94 RXFP1 (0.49) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7333337 0.87 HPGD (0.50) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL9080295 0.86 HPGD (0.53) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL7328151 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL8603637 0.82 HPGD (0.50) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL29938667 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL16072902 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7396688 0.81 LMNA (0.51) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL5057119 0.78 KDM4E (0.69) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL2009866 0.78 GSK3B (0.64) ALDH1A1HTTSMN1; SMN2HSD17B10PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed